bulk:  Fe bcc 2.851
subst:  Mg 1.51011430257
v1: 2896.68763137
n1: 250
v1pa: 11.5867505255
ene0: -1069.9995
ene0pa: -4.279998
subst n: 12
ene1nm: -1065.2276
ene1nmf: 2.00201630257
ene2m: -1066.3994
ene2mf: 0.83021630257
ene3v: -1066.4077
ene3vf: 0.82191630257
esubf: 0.82191630257
V4: 2903.41746375
vintf:  18.3165828984
vintfr:  1.58082137508
